Geometry & MOs

Info

ID:	128352
PubChem CID:	51040993
Reduced:	O2N7H15C18 (1)
Stoich.:	A2B7C15D18 (1)
Weight, g/mol:	400.152203
ΔH_f, kcal/mol:	164.13
Dipole, Da:	5.5
IP(EA), eV:	-9.36(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5R)-4-benzoyloxy-2,5-bis(hydroxymethyl)-2,5-dimethyloxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)C3=CN(N=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations